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Basic information
- CAS
2199-54-4- Standard SMILES
CCOC(=O)c1c(C)[nH]c(C)c1C- InChIKey
WAPMICOPEJCJAD-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- Ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate
Names & synonyms
Ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate2199-54-42,4,5-Trimethyl-1H-pyrrole-3-carboxylic acid ethyl esterPyrrole-3-carboxylic acid, 2,4,5-trimethyl-, ethyl ester1H-Pyrrole-3-carboxylic acid, 2,4,5-trimethyl-, ethyl esterSCHEMBL11652842DTXSID40944590AKOS0062741322,4,5-trimethyl-3-carbethoxy pyrrole2,4,5-Trimethyl-3-carbethoxy-pyrroleCCG-103192SR-01000389517
Show more names
Ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate #SR-01000389517-11H-Pyrrole-3-carboxylic acid, 2,4,5-trimethyl, ethyl ester
Database identifiers
- CAS
2199-54-4、55770-78-0- PubChem CID
- 137484
- DTXSID
DTXSID40944590- Nikkaji
- J1.093.544J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Related reactions
1 records
Compound notes
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